2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,4-dimethylbenzamide

C15H20FNO2 — CID 115759983

IUPAC2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C)CC2(O)CCCC2)c(F)c1
InChIInChI=1S/C15H20FNO2/c1-11-5-6-12(13(16)9-11)14(18)17(2)10-15(19)7-3-4-8-15/h5-6,9,19H,3-4,7-8,10H2,1-2H3
InChIKeyNGVQJIXAWHUYNU-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.51
Rot. Bonds3

About 2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,4-dimethylbenzamide

2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,4-dimethylbenzamide (PubChem CID 115759983) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,4-dimethylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,4-dimethylbenzamide
PubChem CID115759983
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C)CC2(O)CCCC2)c(F)c1
InChIInChI=1S/C15H20FNO2/c1-11-5-6-12(13(16)9-11)14(18)17(2)10-15(19)7-3-4-8-15/h5-6,9,19H,3-4,7-8,10H2,1-2H3
InChIKeyNGVQJIXAWHUYNU-UHFFFAOYSA-N
XLogP2.51
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzamide
CID 115760193
2-hydroxy-N-[(1-hydroxycyclopentyl)methyl]-N,4-dimethylbenzamide
CID 115760603
4-hydroxy-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbenzamide
CID 103867312
2-bromo-4-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzamide
CID 103840263
5-amino-2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylbenzamide
CID 103296926
2-fluoro-4-hydroxy-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylbenzamide
CID 107675691
2-bromo-N-[(4-hydroxyoxan-4-yl)methyl]-N,5-dimethylbenzamide
CID 114949584
2-amino-5-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzamide
CID 114946703
3-amino-5-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,4-dimethylbenzamide
CID 114946695
N-[(2,4-dimethylphenyl)methyl]-2-fluoro-N,4-dimethylbenzamide
CID 79763940
2-fluoro-N,4-dimethyl-N-(2-methylsulfanylethyl)benzamide
CID 112698004
3-bromo-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbenzamide
CID 115759781

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,4-dimethylbenzamide?
The IUPAC name of 2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,4-dimethylbenzamide (CID 115759983) is 2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,4-dimethylbenzamide.
What is the SMILES notation for 2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,4-dimethylbenzamide?
The canonical SMILES for 2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,4-dimethylbenzamide is Cc1ccc(C(=O)N(C)CC2(O)CCCC2)c(F)c1.
What is the InChIKey of 2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,4-dimethylbenzamide?
The InChIKey is NGVQJIXAWHUYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-11-5-6-12(13(16)9-11)14(18)17(2)10-15(19)7-3-4-8-15/h5-6,9,19H,3-4,7-8,10H2,1-2H3.
What are the key properties of 2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,4-dimethylbenzamide?
2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,4-dimethylbenzamide has a molecular weight of 265.33 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,4-dimethylbenzamide is sourced from PubChem (CID 115759983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).